SCHEMBL31184723

SCHEMBL31184723

COc1cc(NC(=O)C2CCC(N3Cc4c(Br)cc([N+](=O)[O-])cc4C3=O)CC2)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GNRHR P30968 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CHKA P35790 1/20 0.37
▸ CHKB Q9Y259 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TYK2 P29597 1/20 0.36
▸ HPGD P15428 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31184565 0.95 ALOX5 (0.38) NAMPTALOX5ALDH1A1NPSR1RXFP1
SCHEMBL31184515 0.93 NAMPT (0.42) NAMPTALOX5ALDH1A1NPSR1RXFP1
SCHEMBL31184929 0.88 ALOX5 (0.40) NAMPTALOX5ALDH1A1NPSR1RXFP1
SCHEMBL31184464 0.87 CHKA (0.42) ALDH1A1POLBCYP1A2CYP3A4MAPK1
SCHEMBL31184570 0.85 ALDH1A1 (0.42) NAMPTALDH1A1POLBEPHX2CYP1A2
SCHEMBL31184345 0.85 POLB (0.42) ALDH1A1POLBCYP1A2CYP3A4MAPK1
SCHEMBL31184647 0.84 POLB (0.43) ALDH1A1POLBCYP1A2CYP3A4MAPK1
SCHEMBL31184933 0.83 POLB (0.41) ALDH1A1POLBCYP1A2CYP3A4MAPK1
SCHEMBL31184500 0.83 POLB (0.38) ALDH1A1NPSR1POLBCYP1A2CYP3A4
SCHEMBL31184932 0.83 HPGD (0.38) ALDH1A1POLBCYP1A2CYP3A4MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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